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Substance Name: Pemetrexed ditromethamine
RN: 1645228-03-0
UNII: HU11J9IK8F
InChIKey: HNJZWVKZQZMXHP-GXKRWWSZSA-N

Molecular Formula

  • C20-H21-N5-O6.2C4-H11-N-O3

Molecular Weight

  • 669.6847
 
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Names and Synonyms

Name of Substance

  • Pemetrexed ditromethamine

Synonyms

  • L-Glutamic acid, N-(4-(2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:2)
  • Pemetrexed ditromethamine
  • UNII-HU11J9IK8F

Registry Numbers

CAS Registry Number

  • 1645228-03-0

FDA UNII

  • HU11J9IK8F

System Generated Number

  • 1645228030

Structure Descriptors

InChI

1S/C20H21N5O6.2C4H11NO3/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;2*5-4(1-6,2-7)3-8/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);2*6-8H,1-3,5H2/t13-;;/m0../s1

InChIKey

HNJZWVKZQZMXHP-GXKRWWSZSA-N

Smiles

NC1=Nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c2C(=O)N1.NC(CO)(CO)CO.NC(CO)(CO)CO